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psi4-dev
|
public |
Development support for Psi4
|
2025-03-25 |
|
psi4-lt-mp
|
public |
link-time quantum chemistry add-ons for Psi4
|
2025-03-25 |
|
psi4-rt
|
public |
Optional run-time add-ons to Psi4
|
2025-03-25 |
|
am7
|
public |
metapackage tracking feature Libint MAX_AM_ERI=7
|
2025-03-25 |
|
am8
|
public |
metapackage tracking feature Libint MAX_AM_ERI=8
|
2025-03-25 |
|
simint
|
public |
B. Pritchard's vectorized Obara-Saika electron repulsion integrals
|
2025-03-25 |
|
erd
|
public |
N. Flocke and V. Lotrich's Gaussian molecular integrals for AcesIII
|
2025-03-25 |
|
gcc-5-mp
|
public |
gcc-5 metapackage including pinned dependencies
|
2025-03-25 |
|
libxc
|
public |
M.A.L. Marques's exchange-correlation functionals for density-functional theory
|
2025-03-25 |
|
gcc-5
|
public |
The GNU Compiler Collection
|
2025-03-25 |
|
dkh
|
public |
Wolf, Reiher, and Hess's Douglas-Kroll-Hess (DKH) relativistic correction
|
2025-03-25 |
|
gdma
|
public |
A. Stone's Gaussian distributed multipole analysis (GDMA)
|
2025-03-25 |
|
libefp
|
public |
I. Kaliman's parallel implementation of the Effective Fragment Potential (EFP) method
|
2025-03-25 |
|
libint
|
public |
Libint is E. Valeev's library for the evaluation of molecular integrals of many-body operators over Gaussian functions
|
2025-03-25 |
|
gcp
|
public |
S. Grimme's geometrical counterpoise correction for DFT and Hartree--Fock quantum chemical methods
|
2025-03-25 |
|
pychemps2
|
public |
python interface to S. Wouters' spin-adapted implementation of DMRG for ab initio quantum chemistry
|
2025-03-25 |
|
v2rdm_casscf
|
public |
E. DePrince's variational 2-RDM-driven CASSCF plugin to Psi4
|
2025-03-25 |
|
ambit
|
public |
J. Turney's C++ library for the implementation of tensor product calculations
|
2025-03-25 |
|
boost
|
public |
No Summary
|
2025-03-25 |
|
pcmsolver
|
public |
R. Di Remigio's API for the Polarizable Continuum Model
|
2025-03-25 |
|
iomp5
|
public |
Intel OpenMP redistributable library
|
2025-03-25 |
|
csx4psi
|
public |
a spin-adapted implementation of DMRG for ab initio quantum chemistry
|
2025-03-25 |
|
gsl
|
None |
http://www.gnu.org/software/gsl/
|
2025-03-25 |
|
dftd3
|
None |
S. Grimme's dispersion correction for DFT, Hartree--Fock, and semi-empirical quantum chemical methods
|
2025-03-25 |
|
pymol
|
None |
Schrödinger's Python-based molecular visualization system
|
2025-03-25 |
|
chemps2
|
None |
S. Wouters' spin-adapted implementation of DMRG for ab initio quantum chemistry
|
2025-03-25 |
|
openbabel
|
None |
open source chemistry toolbox
|
2025-03-25 |
|
psi4
|
None |
No Summary
|
2025-03-25 |
